N-(3-aminophenyl)-2-(4-chlorophenyl)acetamide

• ChemBase ID: 22647
• Molecular Formular: C14H13ClN2O
• Molecular Mass: 260.71882
• Monoisotopic Mass: 260.07164073
• SMILES: C(=O)(Nc1cc(N)ccc1)Cc1ccc(Cl)cc1
• Canonical SMILES: O=C(Nc1cccc(c1)N)Cc1ccc(cc1)Cl
• InChI: InChI=1S/C14H13ClN2O/c15-11-6-4-10(5-7-11)8-14(18)17-13-3-1-2-12(16)9-13/h1-7,9H,8,16H2,(H,17,18)
• InChIKey: OWYSGYRAOQHXSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-aminophenyl)-2-(4-chlorophenyl)acetamide
• IUPAC Traditional name: N-(3-aminophenyl)-2-(4-chlorophenyl)acetamide
• Synonyms: N-(3-Aminophenyl)-2-(4-chlorophenyl)acetamide

Database IDs

• MDL Number: MFCD09943844
• PubChem SID: 160985954
• PubChem CID: 24704529

CALCULATED PROPERTIES

• Acid pKa: 13.906992
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.80935
• LogD (pH = 7.4): 2.8202734
• Log P: 2.8204148
• Molar Refractivity: 75.1481 cm^3
• Polarizability: 27.800325 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false